vasp 
  6.3.2  
  27Jun22 (build Oct 31 2022 01:10:08) complex                          parallel 
  Lin64 
  2023 07 09 
  12:16:28 
 
 
  Cs8ZnPb7Br24  (P1) ~ vasp  (VASP)
       0
  Accurate
  Damped
   F  
       2
       2
       1
     300
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      500.00000000
     315
        2.35000000      1.25000000      1.47000000      1.14000000
   F  
        0.40000000
       0
        0.05000000
       1
       4
   F  
   T  
   T  
   T  
   T  
   F  
   T  
       1
   T  
       2
      -1     2    -1    -1
        0.00000000     10.00000000      0.00000000      0.00000000
        0.00000000      0.00000000      0.00000000      0.00000000
  MBJ
   T  
 
 
  
   
    
           11.60717401       0.00000000       0.00000000 
            0.00000000      11.60717401       0.00000000 
            0.00000000       0.00000000      11.60717401 
    
       1563.79379576 
    
            0.08615361       0.00000000       0.00000000 
            0.00000000       0.08615361       0.00000000 
            0.00000000       0.00000000       0.08615361 
    
   
   
           0.00795570       0.00795570       0.00795570 
           0.00795570       0.00795570       0.49204430 
           0.00795570       0.49204430       0.00795570 
           0.00795570       0.49204430       0.49204430 
           0.49204430       0.00795570       0.00795570 
           0.49204430       0.00795570       0.49204430 
           0.49204430       0.49204430       0.00795570 
           0.49204430       0.49204430       0.49204430 
           0.25000000       0.25000000       0.25000000 
           0.25000000       0.25000000       0.75000000 
           0.25000000       0.75000000       0.25000000 
           0.25000000       0.75000000       0.75000000 
           0.75000000       0.25000000       0.25000000 
           0.75000000       0.25000000       0.75000000 
           0.75000000       0.75000000       0.25000000 
           0.75000000       0.75000000       0.75000000 
           0.25000000       0.25000000       0.02198925 
           0.25000000       0.25000000       0.47801075 
           0.25000000       0.75000000       0.00106235 
           0.25000000       0.75000000       0.49893765 
           0.75000000       0.25000000       0.00106235 
           0.75000000       0.25000000       0.49893765 
           0.75000000       0.75000000       0.00065369 
           0.75000000       0.75000000       0.49934631 
           0.02198925       0.25000000       0.25000000 
           0.00106235       0.25000000       0.75000000 
           0.00106235       0.75000000       0.25000000 
           0.00065369       0.75000000       0.75000000 
           0.47801075       0.25000000       0.25000000 
           0.49893765       0.25000000       0.75000000 
           0.49893765       0.75000000       0.25000000 
           0.49934631       0.75000000       0.75000000 
           0.25000000       0.02198925       0.25000000 
           0.25000000       0.00106235       0.75000000 
           0.25000000       0.47801075       0.25000000 
           0.25000000       0.49893765       0.75000000 
           0.75000000       0.00106235       0.25000000 
           0.75000000       0.00065369       0.75000000 
           0.75000000       0.49893765       0.25000000 
           0.75000000       0.49934631       0.75000000 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
          37 
          38 
          39 
          40 
  
 
 
  
          2        2        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.50000000       0.50000000       0.00000000 
          0.50000000       0.50000000       0.50000000 
  
  
          0.12500000 
          0.37500000 
          0.37500000 
          0.12500000 
  
 
 
  
   Cs8ZnPb7Br24  (P1) ~ vasp  (VASP)
    F  
  
  
   accura
       500.00000000
       575.89200000
         0.00001000
       53
       10
      320
       -1
       -1
       350.00000000
        0
        0
        0
        0
         0.00000000
   
         0
          0.05000000
          0.50000000
     T  
     T  
   
   
     F  
          0.00000000      0.00000000      0.00000000      0.00000000
      -100
         4
     F  
   
   
         0
         2
         1
   
   
         2
     F  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000

         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     T  
     F  
   
   
       300
        -5
         2
        500.00000000
    
      T  
      F  
           0.00000000
           0.00000001
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
          1.00000000
    
          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       90
       90
       90
      180
      180
      180
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        10.00000000
  
  
        2
         0.00001000
  
  
        0
         2.35000000      1.25000000      1.47000000      1.14000000
      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
    F  
    F  
    T  
    F  
    F  
    T  
    T  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
       64
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
       132.90000000     65.39000000    207.20000000     79.90400000
         0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   T  
       2
      -1
        0.00000000
        0.00000000
       0
       0
  
   --
        1
    F  
   
    F  
    F  
    F  
    F  
    F  
    F  
        -1.00000000
        0
        0
         0.00000000
         0.00000000
         0.00000000
         1.00000000
         1.00000000
         1.00000000
         1.00000000
        1
        1
        1
    F  
    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        23.45690694
         1.00000000
  
  
    F  
    F  
    F  
    F  
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
    F  
         0.00000000      0.00000000      0.00000000
    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000
  
  
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -2.00000000
        -2.00000000
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
        1
        1
        3
        4
        0
       -30.00000000
       -30.00000000
      -200.00000000
        0
        -0.10000000
    F  
    F  
    F  
    F  
    F  
    F  
    F  
        1
        1
        1
     2800
        0
       -1
       -1
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
        1
    F  
  
  
    F  
  
 
 
        40 
         4 
  
   ion
   element
   atomtype
   
    Cs   1
    Cs   1
    Cs   1
    Cs   1
    Cs   1
    Cs   1
    Cs   1
    Cs   1
    Zn   2
    Pb   3
    Pb   3
    Pb   3
    Pb   3
    Pb   3
    Pb   3
    Pb   3
    Br   4
    Br   4
    Br   4
    Br   4
    Br   4
    Br   4
    Br   4
    Br   4
    Br   4
    Br   4
    Br   4
    Br   4
    Br   4
    Br   4
    Br   4
    Br   4
    Br   4
    Br   4
    Br   4
    Br   4
    Br   4
    Br   4
    Br   4
    Br   4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       8Cs    132.90000000      9.00000000  PAW_PBE Cs_sv 08Apr2002               
       1Zn     65.39000000     12.00000000  PAW_PBE Zn 06Sep2000                  
       7Pb    207.20000000     14.00000000  PAW_PBE Pb_d 06Sep2000                
      24Br     79.90400000      7.00000000  PAW_PBE Br 06Sep2000                  
   
  
 
 
  
   
          11.60717401       0.00000000       0.00000000 
           0.00000000      11.60717401       0.00000000 
           0.00000000       0.00000000      11.60717401 
   
      1563.79379576 
   
           0.08615361       0.00000000       0.00000000 
           0.00000000       0.08615361       0.00000000 
           0.00000000       0.00000000       0.08615361 
   
  
  
          0.00795570       0.00795570       0.00795570 
          0.00795570       0.00795570       0.49204430 
          0.00795570       0.49204430       0.00795570 
          0.00795570       0.49204430       0.49204430 
          0.49204430       0.00795570       0.00795570 
          0.49204430       0.00795570       0.49204430 
          0.49204430       0.49204430       0.00795570 
          0.49204430       0.49204430       0.49204430 
          0.25000000       0.25000000       0.25000000 
          0.25000000       0.25000000       0.75000000 
          0.25000000       0.75000000       0.25000000 
          0.25000000       0.75000000       0.75000000 
          0.75000000       0.25000000       0.25000000 
          0.75000000       0.25000000       0.75000000 
          0.75000000       0.75000000       0.25000000 
          0.75000000       0.75000000       0.75000000 
          0.25000000       0.25000000       0.02198925 
          0.25000000       0.25000000       0.47801075 
          0.25000000       0.75000000       0.00106235 
          0.25000000       0.75000000       0.49893765 
          0.75000000       0.25000000       0.00106235 
          0.75000000       0.25000000       0.49893765 
          0.75000000       0.75000000       0.00065369 
          0.75000000       0.75000000       0.49934631 
          0.02198925       0.25000000       0.25000000 
          0.00106235       0.25000000       0.75000000 
          0.00106235       0.75000000       0.25000000 
          0.00065369       0.75000000       0.75000000 
          0.47801075       0.25000000       0.25000000 
          0.49893765       0.25000000       0.75000000 
          0.49893765       0.75000000       0.25000000 
          0.49934631       0.75000000       0.75000000 
          0.25000000       0.02198925       0.25000000 
          0.25000000       0.00106235       0.75000000 
          0.25000000       0.47801075       0.25000000 
          0.25000000       0.49893765       0.75000000 
          0.75000000       0.00106235       0.25000000 
          0.75000000       0.00065369       0.75000000 
          0.75000000       0.49893765       0.25000000 
          0.75000000       0.49934631       0.75000000 
  
 
 
  
         1.00000000 
      98.75   99.32
   
        920.95430958 
     -18097.27548761 
      -7724.42546725 
       -388.60394826 
      22157.60695327 
      -6905.95895166 
         -0.02117032 
       5903.95767891 
      26668.32567059 
      22534.55958725 
      22534.58075758 
      22534.57017242 
   
  
  
     144.59  145.47
   
      19906.45935503 
      19906.48418714 
      19906.47177109 
   
  
  
     138.59  139.44
   
      19243.89692795 
      19243.92246755 
      19243.90969775 
   
  
  
     140.11  140.97
   
      19086.88588322 
      19086.90803003 
      19086.89695663 
   
  
  
     158.21  159.18
   
      19040.73532643 
      19040.75525720 
      19040.74529181 
   
  
  
         2.00000000 
      73.38   73.86
   
      15421.91802667 
      15421.93435021 
      15421.92618844 
   
  
  
         1.04929422 
      73.59   74.03
   
      14739.71545345 
      14739.72063555 
      14739.71804450 
   
  
  
         1.17870754 
      73.53   73.98
   
      14475.58447793 
      14475.58636367 
      14475.58542080 
   
  
  
         1.25518022 
      73.56   73.99
   
      14390.20761598 
      14390.20893598 
      14390.20827598 
   
  
  
         1.27555641 
      73.52   73.93
   
      14343.78301400 
      14343.78301400 
      14343.78301400 
   
  
  
         1.26541295 
      73.50   73.94
   
      14328.35651188 
      14328.35651188 
      14328.35651188 
   
  
  
         1.26796175 
      73.54   73.99
   
      14326.80314925 
      14326.80314925 
      14326.80314925 
   
  
  
         1.28573525 
      73.53   73.94
   
      14329.10698467 
      14329.10698467 
      14329.10698467 
   
  
  
         1.30332590 
      73.56   73.97
   
      14331.23111715 
      14331.23111715 
      14331.23111715 
   
  
  
         1.31283848 
      73.55   74.00
   
      14332.69491645 
      14332.69491645 
      14332.69491645 
   
  
  
         1.31537718 
      73.51   73.97
   
      14333.61927986 
      14333.61927986 
      14333.61927986 
   
  
  
         1.31510436 
      73.50   73.94
   
      14334.08798059 
      14334.08798059 
      14334.08798059 
   
  
  
         1.31492640 
      73.42   73.86
   
      14334.24806146 
      14334.24806146 
      14334.24806146 
   
  
  
         1.31563434 
      73.49   73.93
   
      14334.33001226 
      14334.33001226 
      14334.33001226 
   
  
  
         1.31684437 
      73.53   73.99
   
      14334.44662661 
      14334.44662661 
      14334.44662661 
   
  
  
         1.31800827 
      73.51   73.94
   
      14334.58598767 
      14334.58598767 
      14334.58598767 
   
  
  
         1.31885294 
      73.46   73.88
   
      14334.71126033 
      14334.71126033 
      14334.71126033 
   
  
  
         1.31937187 
      73.45   73.88
   
      14334.81032979 
      14334.81032979 
      14334.81032979 
   
  
  
         1.31967482 
      73.52   73.95
   
      14334.88821803 
      14334.88821803 
      14334.88821803 
   
  
  
         1.31987181 
      73.50   73.93
   
      14334.95011968 
      14334.95011968 
      14334.95011968 
   
  
  
         1.32002719 
      73.49   73.93
   
      14334.99797395 
      14334.99797395 
      14334.99797395 
   
  
  
         1.32016219 
      73.49   73.93
   
      14335.03345684 
      14335.03345684 
      14335.03345684 
   
  
  
         1.32027690 
      73.45   73.87
   
      14335.05930818 
      14335.05930818 
      14335.05930818 
   
  
  
         1.32036913 
      73.45   73.89
   
      14335.07880705 
      14335.07880705 
      14335.07880705 
   
  
  
         1.32043994 
      73.55   73.95
   
      14335.09395323 
      14335.09395323 
      14335.09395323 
   
  
  
         1.32049529 
      73.53   73.99
   
      14335.10615059 
      14335.10615059 
      14335.10615059 
   
  
  
         1.32053778 
      73.52   73.97
   
      14335.11554520 
      14335.11554520 
      14335.11554520 
   
  
  
         1.32056995 
      73.51   73.95
   
      14335.12267459 
      14335.12267459 
      14335.12267459 
   
  
  
         1.32059360 
      73.51   73.94
   
      14335.12807396 
      14335.12807396 
      14335.12807396 
   
  
  
         1.32061115 
      73.51   73.95
   
      14335.13207886 
      14335.13207886 
      14335.13207886 
   
  
  
         1.32062417 
      73.58   74.00
   
      14335.13500398 
      14335.13500398 
      14335.13500398 
   
  
  
         1.32063383 
      73.55   73.96
   
      14335.13714260 
      14335.13714260 
      14335.13714260 
   
  
  
         1.32064103 
      73.56   73.97
   
      14335.13871000 
      14335.13871000 
      14335.13871000 
   
  
  
         1.32064635 
      73.52   73.96
   
      14335.13986862 
      14335.13986862 
      14335.13986862 
   
  
  
         1.32065026 
      73.57   73.99
   
      14335.14072701 
      14335.14072701 
      14335.14072701 
   
  
  
         1.32065314 
      73.50   73.91
   
      14335.14136575 
      14335.14136575 
      14335.14136575 
   
  
  
         1.32065528 
      73.53   73.94
   
      14335.14184352 
      14335.14184352 
      14335.14184352 
   
  
  
         1.32065688 
      73.53   73.95
   
      14335.14220253 
      14335.14220253 
      14335.14220253 
   
  
  
         1.32065809 
      73.46   73.94
   
      14335.14247318 
      14335.14247318 
      14335.14247318 
   
  
  
         1.32065901 
      73.51   73.95
   
      14335.14267785 
      14335.14267785 
      14335.14267785 
   
  
  
         1.32065971 
      73.55   73.99
   
      14335.14283305 
      14335.14283305 
      14335.14283305 
   
  
  
         1.32066025 
      73.53   73.97
   
      14335.14295103 
      14335.14295103 
      14335.14295103 
   
  
  
         1.32066066 
      73.49   73.92
   
      14335.14304066 
      14335.14304066 
      14335.14304066 
   
  
  
         1.32066097 
      73.49   73.92
   
      14335.14310875 
      14335.14310875 
      14335.14310875 
   
  
  
         1.32066120 
      73.54   73.96
   
      14335.14316047 
      14335.14316047 
      14335.14316047 
   
  
  
         1.32066138 
      73.49   73.95
   
      14335.14319988 
      14335.14319988 
      14335.14319988 
   
  
  
         1.32066152 
      73.50   73.92
   
      14335.14322993 
      14335.14322993 
      14335.14322993 
   
  
  
         1.32066163